⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL8969940 | 0.92 | — | — | |
| SCHEMBL8969948 | 0.92 | — | — | |
| SCHEMBL8969880 | 0.87 | TUBB1 (0.32) | — | |
| SCHEMBL12999984 | 0.87 | — | — | |
| SCHEMBL8969930 | 0.84 | FPR2 (0.31) | — | |
| SCHEMBL8970117 | 0.83 | — | — | |
| SCHEMBL8941060 | 0.83 | GRIN1 (0.33) | — | |
| SCHEMBL13000851 | 0.82 | NAAA (0.34) | — | |
| SCHEMBL8932646 | 0.82 | GRIN1 (0.33) | — | |
| SCHEMBL8969132 | 0.81 | NAAA (0.35) | — |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8187494-B2 | Four- or five-ring liquid crystal compound having lateral fluorine, liquid crystal composition, and liquid crystal display device | JNC CORPORATION (JP) | 2012-05-29 | — | — | US | disclosed |